2-methylsulfanylethyl 2-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate

Systemtic Name: 2-methylsulfanylethyl 2-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: 2-methylsulfanylethyl 2-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 2-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 2-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoate Traditional Name: 2-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]propionic acid 2-(methylthio)ethyl ester Formula: C19H21ClN2O7S2 MolecularWeight: 488.96224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCSC)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCCSC)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN2O7S2/c1-12(19(23)28-8-9-30-2)21-16-10-13(4-6-17(16)22(24)25)29-18-7-5-14(11-15(18)20)31(3,26)27/h4-7,10-12,21H,8-9H2,1-3H3